(4S)-4-methyl-3-(3-nitro-4-piperidin-1-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: (4S)-4-methyl-3-(3-nitro-4-piperidin-1-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: (4S)-4-methyl-3-[3-nitro-4-(1-piperidyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: (4S)-4-methyl-3-[3-nitro-4-(1-piperidinyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: (4S)-4-methyl-3-(3-nitro-4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: (4S)-4-methyl-3-(3-nitro-4-piperidino-phenyl)-4,5-dihydro-1H-pyridazin-6-one Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-11-9-15(21)17-18-16(11)12-5-6-13(14(10-12)20(22)23)19-7-3-2-4-8-19/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,21)/t11-/m0/s1